| SpectraBase Spectrum ID |
2ix4MEfpSK |
| Name |
4-Cholesten-3-one |
| Alternate Name(s) |
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O |
| InChI |
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey |
NYOXRYYXRWJDKP-GYKMGIIDSA-N |
| Literature Reference DOI |
10.1016/j.steroids.2016.03.018 |
| Molecular Weight |
384.648 g/mol |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)=O |
| SPLASH |
splash10-05dl-4940000000-2b65fa26a62069805d51 |
| Source of Spectrum |
M. Laura Mascotti, et al. Steroids, 10.1016/j.steroids.2016.03.018 |
| Wiley ID |
1816015 |
